CID 83957783

3-(4-hydroxyphenyl)but-2-enoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C/C(=C\C(=O)O)/C1=CC=C(C=C1)O

InChI

InChI=1S/C10H10O3/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6,11H,1H3,(H,12,13)/b7-6+

InChIKey

DWJXOBZYFQWYTR-VOTSOKGWSA-N

Compound name

(E)-3-(4-hydroxyphenyl)but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.06299 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.070266	136.7
[M+Na]+	201.052208	143.8
[M-H]-	177.055714	137.8
[M+NH4]+	196.096813	155.3
[M+K]+	217.026148	141.2
[M+H-H2O]+	161.060250	131.5
[M+HCOO]-	223.061191	157.0
[M+CH3COO]-	237.076841	175.7
[M+Na-2H]-	199.037656	140.2
[M]+	178.06244142	135.1
[M]-	178.06353858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe